1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol

C13H28N2O — CID 114491211

IUPAC1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
SMILESCCNC1CCN(CC(C)(O)C(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-5-14-12-6-8-15(9-7-12)10-13(4,16)11(2)3/h11-12,14,16H,5-10H2,1-4H3
InChIKeyVMKZMJBMCXCUCF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds5

About 1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol

1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol (PubChem CID 114491211) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
PubChem CID114491211
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
SMILESCCNC1CCN(CC(C)(O)C(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-5-14-12-6-8-15(9-7-12)10-13(4,16)11(2)3/h11-12,14,16H,5-10H2,1-4H3
InChIKeyVMKZMJBMCXCUCF-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496429
2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496943
1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447436
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114496950
1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol
CID 114449091
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
1-[4-(ethylamino)piperidin-1-yl]butan-2-ol
CID 60883910
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622
N-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910858
2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol
CID 66178563

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol (CID 114491211) is 1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol is CCNC1CCN(CC(C)(O)C(C)C)CC1.
What is the InChIKey of 1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol?
The InChIKey is VMKZMJBMCXCUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-14-12-6-8-15(9-7-12)10-13(4,16)11(2)3/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol?
1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114491211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).